8S18

c-KIT kinase domain in complex with S116836

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	87.630, 90.790, 91.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.400 - 2.100
R-factor	0.1941
Rwork	0.193
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.674
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.400	2.200
High resolution limit [Å]	2.100	2.100
Number of reflections	43099	5522
<I/σ(I)>	13.09	1.64
Completeness [%]	100.0
Redundancy	13.61
CC(1/2)	0.999	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291.15	protein concentration: 7 mg/mL, 14% PEG3350, 3% 1,6-hexane diole, 50 mM Na3-citrate, pH 6.0